2-isocyano-N-(4-methyl-2-pyridinyl)acetamide

C9H9N3O — CID 108814872

IUPAC2-isocyano-N-(4-methyl-2-pyridinyl)acetamide
SMILES[C-]#[N+]CC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C9H9N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5H,6H2,1H3,(H,11,12,13)
InChIKeyNMGMHPVOJMPDPO-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.25
Rot. Bonds2

About 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide

2-isocyano-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 108814872) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-isocyano-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID108814872
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-isocyano-N-(4-methyl-2-pyridinyl)acetamide
SMILES[C-]#[N+]CC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C9H9N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5H,6H2,1H3,(H,11,12,13)
InChIKeyNMGMHPVOJMPDPO-UHFFFAOYSA-N
XLogP1.25
TPSA46.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17434255

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide (CID 108814872) is 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide is [C-]#[N+]CC(=O)Nc1cc(C)ccn1.
What is the InChIKey of 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is NMGMHPVOJMPDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5H,6H2,1H3,(H,11,12,13).
What are the key properties of 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide?
2-isocyano-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 175.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 108814872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).